Gangliotriose

CAT: 0926-OG29094-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-OG29094-01Size:1 mg

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CAS Number

1355005-58-1

Synonyms

Asialo-GM2-trisaccharide

Smiles

CC (=O) NC1[C@@H] (O) [C@@H] (O) C (CO) O[C@H]1O[C@@H]2[C@H] (O) C (O) [C@H] (O[C@H]3[C@H] (O) C (O) C (O) OC3CO) OC2CO

Molecular Formula

C20H35NO16

Molecular Weight

545.49 g/mol

Controlled

Chemical Information

Gangliotriose

CAS Number	1355005-58-1
PubChem CID	172642682
IUPAC Name	N-[(2S,4R,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Formula	C20H35NO16
Molecular Weight	545.5
XLogP	-6.9
Topological Polar Surface Area	278
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	747

SMILES

CC(=O)NC1[C@H]([C@H](C(O[C@H]1O[C@@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C(C(OC3CO)O)O)O)O)O)CO)O)O

InChI

InChI=1S/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6?,7?,8?,9?,10-,11+,12+,13+,14?,15?,16+,17-,18?,19-,20-/m0/s1

InChIKey

XGWWPIOYXPTSBV-PGKLAXADSA-N

Chemical Structure

2D Structure

CAS: 1355005-58-1

CID: 172642682

Formula: C20H35NO16

MW: 545.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	545.5
XLogP3	-6.9
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	545.19558403
Monoisotopic Mass	545.19558403
Topological Polar Surface Area	278 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	747
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
297089-01	Gangliotriose

Gangliotriose

Chemical Information

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